7-(3-oxidanylidene-4H-quinoxalin-2-yl)-2-(pyridin-4-ylmethyl)-1,2-benzothiazol-3-one

Systemtic Name: 7-(3-oxidanylidene-4H-quinoxalin-2-yl)-2-(pyridin-4-ylmethyl)-1,2-benzothiazol-3-one Openeye Name: 7-(3-oxo-4H-quinoxalin-2-yl)-2-(4-pyridylmethyl)-1,2-benzothiazol-3-one CAS Name: 7-(3-oxo-4H-quinoxalin-2-yl)-2-(pyridin-4-ylmethyl)-1,2-benzothiazol-3-one IUPAC Name: 7-(3-oxo-4H-quinoxalin-2-yl)-2-(pyridin-4-ylmethyl)-1,2-benzothiazol-3-one Traditional Name: 7-(3-keto-4H-quinoxalin-2-yl)-2-(4-pyridylmethyl)-1,2-benzothiazol-3-one Formula: C21H14N4O2S MolecularWeight: 386.42646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(=N2)C3=CC=CC4=C3SN(C4=O)CC5=CC=NC=C5

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C(=N2)C3=CC=CC4=C3SN(C4=O)CC5=CC=NC=C5

InChI

InChI=1S/C21H14N4O2S/c26-20-18(23-16-6-1-2-7-17(16)24-20)14-4-3-5-15-19(14)28-25(21(15)27)12-13-8-10-22-11-9-13/h1-11H,12H2,(H,24,26)